4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine

C18H25N3O4S — CID 126951892

IUPAC4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
SMILESCn1ccc2c(OC3CCN(S(=O)(=O)N4CCOCC4)CC3)cccc21
InChIInChI=1S/C18H25N3O4S/c1-19-8-7-16-17(19)3-2-4-18(16)25-15-5-9-20(10-6-15)26(22,23)21-11-13-24-14-12-21/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyBCUMZWGQYPJTLX-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.60
Rot. Bonds4

About 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine

4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine (PubChem CID 126951892) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
PubChem CID126951892
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
SMILESCn1ccc2c(OC3CCN(S(=O)(=O)N4CCOCC4)CC3)cccc21
InChIInChI=1S/C18H25N3O4S/c1-19-8-7-16-17(19)3-2-4-18(16)25-15-5-9-20(10-6-15)26(22,23)21-11-13-24-14-12-21/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyBCUMZWGQYPJTLX-UHFFFAOYSA-N
XLogP1.60
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine (CID 126951892) is 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine is Cn1ccc2c(OC3CCN(S(=O)(=O)N4CCOCC4)CC3)cccc21.
What is the InChIKey of 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine?
The InChIKey is BCUMZWGQYPJTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-19-8-7-16-17(19)3-2-4-18(16)25-15-5-9-20(10-6-15)26(22,23)21-11-13-24-14-12-21/h2-4,7-8,15H,5-6,9-14H2,1H3.
What are the key properties of 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine?
4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine has a molecular weight of 379.48 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 126951892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).